High-Dimensional Property Representation
Learn representations of high-dimensional electronic structures, such as DOS, to capture complex structure–property relationships.
Inverse Design by AI
Working backward from desired properties to viable chemical structures.
RESEARCH TOPIC 02
Inverse Design from Target Properties
We use AI to generate material structures from target properties, leveraging high-dimensional information such as DOS to explore a broader materials space. We further extend inverse design to synthesis and processing, bridging the gap between material design and practical realization.
Generative AITarget-Driven DesignMaterials InformaticsSynthesis Design
Property-to-Structure Generation
Generate and explore candidate material structures based on desired properties using AI-based inverse design models.
Synthesis & Process Inverse Design
Jointly design material structures, synthesis routes, and processing conditions to bridge the gap between material design and experimental realization.
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